UCSF

ZINC48040149

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.19 5.77 -53.08 3 3 1 46 318.21 5
Hi High (pH 8-9.5) 3.19 4.41 -9.59 2 3 0 41 317.202 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )